SCHEMBL6624668

SCHEMBL6624668

CCC(CC)COC1CNCCC1c1ccoc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.38
ADORA2B P29275 4/20 0.32
ADORA1 P30542 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14256334 1.00 REN (0.38) RENADORA2BADORA1CYP1A2CYP2C9
SCHEMBL6619803 0.88 REN (0.40) RENADORA2BADORA1
SCHEMBL14256332 0.88 REN (0.40) RENADORA2BADORA1
SCHEMBL14255938 0.86 REN (0.42) RENADORA2BCYP1A2CYP2C9MAPK1
SCHEMBL14256319 0.82 ADORA2B (0.32) ADORA2BADORA1CYP1A2CYP2C9MAPK1
SCHEMBL14255937 0.78 ALOX5 (0.35) RENADORA2BADORA1
SCHEMBL4872299 0.78 REN (0.38) RENADORA2B
SCHEMBL14256333 0.78 REN (0.38) RENADORA2B
SCHEMBL14256327 0.77 REN (0.55) REN
SCHEMBL4874348 0.77 REN (0.55) REN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448200-A2 (4-PHENYL)PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP claimed
WO-2003043987-A2 (4-PHENYL) PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO claimed